SCHEMBL4037383

SCHEMBL4037383

Cc1cc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccccc3N2)cc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 2/20 0.39
NR1H4 Q96RI1 7/20 0.39
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 2/20 0.37
KCNH2 Q12809 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 2/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4034866 0.84 EPHX1 (0.39) KMT2AGAARAB9ANR1H4TSHR
SCHEMBL4045481 0.82 MDM2 (0.42) KMT2AGAARAB9ANR1H4TSHR
SCHEMBL4041338 0.82 SMN1; SMN2 (0.41) KMT2ARAB9ATSHRSMN1; SMN2HTT
SCHEMBL4040611 0.81 NR1H4 (0.39) KMT2ARAB9ANR1H4TSHRSMN1; SMN2
SCHEMBL4034552 0.81 NPC1 (0.41) KMT2AGAARAB9ATSHRSMN1; SMN2
SCHEMBL4042732 0.81 NR1H4 (0.44) KMT2ARAB9ANR1H4TSHRSMN1; SMN2
SCHEMBL4039101 0.81 NR1H4 (0.44) KMT2ARAB9ANR1H4TSHRSMN1; SMN2
SCHEMBL4042940 0.81 TSHR (0.45) KMT2ARAB9ATSHRSMN1; SMN2CYP3A4
SCHEMBL4037171 0.81 NPC1 (0.47) KMT2ARAB9ATSHRSMN1; SMN2MEN1
SCHEMBL4040656 0.81 LMNA (0.45) KMT2ARAB9ATSHRSMN1; SMN2HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP claimed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO claimed
EP-3043865-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2016-07-20 EP disclosed
WO-2015036442-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2015-03-19 WO disclosed
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed